#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/23/9012381.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012381
loop_
_publ_author_name
'Balz, U.'
'Schubert, K.'
_publ_section_title
;
 Kristallstruktur von Pd2As(r) und Pd2Sb
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              300
_journal_page_last               304
_journal_paper_doi               10.1016/0022-5088(69)90111-8
_journal_volume                  19
_journal_year                    1969
_chemical_formula_structural     Pd2As
_chemical_formula_sum            'As Pd2'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.245
_cell_length_b                   16.844
_cell_length_c                   6.576
_cell_formula_units_Z            8
_cell_volume                     359.436
_database_code_amcsd             0014133
_exptl_crystal_density_diffrn    10.635
_cod_original_formula_sum        'Pd2 As'
_cod_database_code               9012381
_amcsd_formula_title             Pd2As
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,z
1/2-x,1/2+y,z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pd1 0.00000 0.96440 0.00000
Pd2 0.00000 0.17300 0.10700
Pd3 0.00000 0.32760 0.95800
Pd4 0.00000 0.58920 0.83530
As1 0.00000 0.55670 0.18840
As2 0.00000 0.20730 0.72560
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014133
